5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid

C10H9IN2O3 — CID 63111678

IUPAC5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid
SMILESO=C(O)c1cc(I)ccc1N1CCNC1=O
InChIInChI=1S/C10H9IN2O3/c11-6-1-2-8(7(5-6)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15)
InChIKeyVPEGYFMLBGGBQT-UHFFFAOYSA-N
MW332.10 g/mol
LogP1.52
Rot. Bonds2

About 5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid

5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid (PubChem CID 63111678) has the molecular formula C10H9IN2O3 and a molecular weight of 332.10 g/mol. Its IUPAC name is 5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid
PubChem CID63111678
Molecular FormulaC10H9IN2O3
Molecular Weight332.10 g/mol
Exact Mass331.97
IUPAC Name5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid
SMILESO=C(O)c1cc(I)ccc1N1CCNC1=O
InChIInChI=1S/C10H9IN2O3/c11-6-1-2-8(7(5-6)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15)
InChIKeyVPEGYFMLBGGBQT-UHFFFAOYSA-N
XLogP1.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid?
The IUPAC name of 5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid (CID 63111678) is 5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid.
What is the SMILES notation for 5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid?
The canonical SMILES for 5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid is O=C(O)c1cc(I)ccc1N1CCNC1=O.
What is the InChIKey of 5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid?
The InChIKey is VPEGYFMLBGGBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O3/c11-6-1-2-8(7(5-6)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15).
What are the key properties of 5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid?
5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid has a molecular weight of 332.10 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid is sourced from PubChem (CID 63111678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).